methyl 5-methyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(4-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(4-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=NC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=NC=C2)C(=O)OC

InChI

InChI=1S/C13H13N3O2S2/c1-8-7-10(12(17)18-2)11(20-8)16-13(19)15-9-3-5-14-6-4-9/h3-7H,1-2H3,(H2,14,15,16,19)